SCHEMBL8535121

SCHEMBL8535121

CC(=O)C(CC(=O)c1cccc(C)c1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
TDP2 O95551 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PARP1 P09874 1/20 0.40
SLC7A5 Q01650 1/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16042348 0.86 RXFP1 (0.44) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL27498315 0.84 SLC7A5 (0.47) ALDH1A1KMT2AMEN1NPC1SLC7A5
SCHEMBL16043976 0.79 HSD11B1 (0.39) ALDH1A1MAPTKDM4EHTTKMT2A
SCHEMBL8536465 0.77 ERCC5 (0.42) ADRB2ADRB1ADRB3CTNNB1WNT3A
SCHEMBL8535820 0.77 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHTTKMT2A
SCHEMBL16042292 0.76 KMT2A (0.37) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL8014554 0.75 SMN1; SMN2 (0.48) ADRB2ADRB1ADRB3CTNNB1WNT3A
SCHEMBL16042409 0.73 HTT (0.48) ALDH1A1MAPTKDM4EHTTKMT2A
SCHEMBL24952178 0.72 NPSR1 (0.48) CTNNB1WNT3AALDH1A1MAPTHTT
SCHEMBL31223766 0.72 NPSR1 (0.48) CTNNB1WNT3AALDH1A1MAPTHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed